8C49
Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for 3-Methyl-L-histidine, bound to AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-30 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 61 |
Unit cell lengths | 59.932, 59.932, 263.231 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.900 - 1.820 |
R-factor | 0.1952 |
Rwork | 0.195 |
R-free | 0.20940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jp2 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.564 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.900 | 1.885 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.209 | |
Number of reflections | 47516 | 4638 |
<I/σ(I)> | 9.02 | 1.13 |
Completeness [%] | 99.7 | |
Redundancy | 21.1 | |
CC(1/2) | 0.997 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Magnesium chloride hexahydrate, 0.1 M tris, pH = 8, 25% (v/v) PEG Smear High, 10% glycerol |